N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

C21H23N3O — CID 9466971

IUPACN,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C21H23N3O/c1-15-10-12-18(13-11-15)14-23(4)21(25)20-16(2)22-24(17(20)3)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3
InChIKeyWPHSPQAJBXSONF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.07
Rot. Bonds4

About N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide

N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9466971) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID9466971
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1
InChIInChI=1S/C21H23N3O/c1-15-10-12-18(13-11-15)14-23(4)21(25)20-16(2)22-24(17(20)3)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3
InChIKeyWPHSPQAJBXSONF-UHFFFAOYSA-N
XLogP4.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 9466971) is N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1.
What is the InChIKey of N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is WPHSPQAJBXSONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-10-12-18(13-11-15)14-23(4)21(25)20-16(2)22-24(17(20)3)19-8-6-5-7-9-19/h5-13H,14H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide?
N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9466971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).